Glycoside
GD017886
Name:
NoneFormula:
C24H27O8NSSmiles:
CNCC[C@H](Oc1cccc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)ccc12)c1cccs1Aglycone:
CNCCC(Oc1cccc2cc(O)ccc12)c1cccs1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.9 | Num_rotatable_bonds: | 9 |
| MolWt: | 489.55 | Num_heavy_atoms: | 34 |
| TPSA: | 137.71 | NumAromaticRings: | 3 |
Unique Aglycone
AD12715
Formula: C18H19O2NS
Smiles:
CNCCC(Oc1cccc2cc(O)ccc12)c1cccs1| HBA: | 3 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.22 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 6 |
| MolWt: | 313.42 | Num_heavy_atoms: | 22 |
| TPSA: | 41.49 | NumAromaticRings: | 3 |
